2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid

C9H19N3O3 — CID 87176174

IUPAC2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)(CN)NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,5-10)12-7(13)4-3-6(11)8(14)15/h6H,3-5,10-11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPCWYJEACEOFTIM-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.97
Rot. Bonds6

About 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid

2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 87176174) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
PubChem CID87176174
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)(CN)NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,5-10)12-7(13)4-3-6(11)8(14)15/h6H,3-5,10-11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPCWYJEACEOFTIM-UHFFFAOYSA-N
XLogP-0.97
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
3-(4-aminopentanoylamino)-3-methylbutanoic acid
CID 64683706
(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 11470624
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
CID 7408406
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
2-amino-5-[2-[3-[2-[(4-amino-4-carboxybutanoyl)amino]ethoxy]-2,2-dimethyl-3-oxopropanoyl]oxyethylamino]-5-oxopentanoic acid
CID 58463544
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
(2S)-2-amino-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
CID 166603904
N-(1-amino-2-methylpropan-2-yl)-3-butylsulfanylpropanamide
CID 119525174
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid (CID 87176174) is 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid is CC(C)(CN)NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is PCWYJEACEOFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,5-10)12-7(13)4-3-6(11)8(14)15/h6H,3-5,10-11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid?
2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 217.27 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 87176174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).