lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide

C16H24LiN3O5 — CID 172728907

IUPAClithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide
SMILESCC(C)(C)OC(=O)NC(CC1(c2cccnc2N)CC1)C(=O)O.[Li+].[OH-]
InChIInChI=1S/C16H23N3O4.Li.H2O/c1-15(2,3)23-14(22)19-11(13(20)21)9-16(6-7-16)10-5-4-8-18-12(10)17;;/h4-5,8,11H,6-7,9H2,1-3H3,(H2,17,18)(H,19,22)(H,20,21);;1H2/q;+1;/p-1
InChIKeyHNHQJMDBAUZTGB-UHFFFAOYSA-M
MW345.33 g/mol
LogP-1.11
Rot. Bonds5

About lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide

lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide (PubChem CID 172728907) has the molecular formula C16H24LiN3O5 and a molecular weight of 345.33 g/mol. Its IUPAC name is lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide.

Molecular Properties

Compound Namelithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide
PubChem CID172728907
Molecular FormulaC16H24LiN3O5
Molecular Weight345.33 g/mol
Exact Mass345.19
IUPAC Namelithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide
SMILESCC(C)(C)OC(=O)NC(CC1(c2cccnc2N)CC1)C(=O)O.[Li+].[OH-]
InChIInChI=1S/C16H23N3O4.Li.H2O/c1-15(2,3)23-14(22)19-11(13(20)21)9-16(6-7-16)10-5-4-8-18-12(10)17;;/h4-5,8,11H,6-7,9H2,1-3H3,(H2,17,18)(H,19,22)(H,20,21);;1H2/q;+1;/p-1
InChIKeyHNHQJMDBAUZTGB-UHFFFAOYSA-M
XLogP-1.11
TPSA144.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163143488
(2S)-3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 121233378
3-(2-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79019960
4-(3-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 53403784
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
(2S)-4-imidazo[4,5-b]pyridin-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10881739
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 66972690
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7020984
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 174145347
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902
3-[1-(1-fluoroethenyl)cyclobutyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163651503
benzenesulfonic acid;methyl (2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 161285554

Frequently Asked Questions

What is the IUPAC name of lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide?
The IUPAC name of lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide (CID 172728907) is lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide.
What is the SMILES notation for lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide?
The canonical SMILES for lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide is CC(C)(C)OC(=O)NC(CC1(c2cccnc2N)CC1)C(=O)O.[Li+].[OH-].
What is the InChIKey of lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide?
The InChIKey is HNHQJMDBAUZTGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23N3O4.Li.H2O/c1-15(2,3)23-14(22)19-11(13(20)21)9-16(6-7-16)10-5-4-8-18-12(10)17;;/h4-5,8,11H,6-7,9H2,1-3H3,(H2,17,18)(H,19,22)(H,20,21);;1H2/q;+1;/p-1.
What are the key properties of lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide?
lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide has a molecular weight of 345.33 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-[1-(2-amino-3-pyridinyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide is sourced from PubChem (CID 172728907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).