(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride

C14H18ClN3O3 — CID 126483330

IUPAC(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
SMILESCl.Cn1cc(C[C@@H](NC(=O)CN)C(=O)O)c2ccccc21
InChIInChI=1S/C14H17N3O3.ClH/c1-17-8-9(10-4-2-3-5-12(10)17)6-11(14(19)20)16-13(18)7-15;/h2-5,8,11H,6-7,15H2,1H3,(H,16,18)(H,19,20);1H/t11-;/m1./s1
InChIKeyUDHDAAPRAVPQKL-RFVHGSKJSA-N
MW311.77 g/mol
LogP0.67
Rot. Bonds5

About (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride

(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride (PubChem CID 126483330) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
PubChem CID126483330
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
SMILESCl.Cn1cc(C[C@@H](NC(=O)CN)C(=O)O)c2ccccc21
InChIInChI=1S/C14H17N3O3.ClH/c1-17-8-9(10-4-2-3-5-12(10)17)6-11(14(19)20)16-13(18)7-15;/h2-5,8,11H,6-7,15H2,1H3,(H,16,18)(H,19,20);1H/t11-;/m1./s1
InChIKeyUDHDAAPRAVPQKL-RFVHGSKJSA-N
XLogP0.67
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
(2R)-2-(ethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 126483278
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483037
(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126482760
(2R)-2-[[(2S)-5-amino-2-(chloroamino)-5-oxopentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126498928
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid
CID 168915547
ethane;3-(1-methylindol-3-yl)-2-[(4-phenylphenyl)methoxycarbonylamino]propanoic acid
CID 91531655
(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;sulfuric acid
CID 164615812

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride (CID 126483330) is (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride is Cl.Cn1cc(C[C@@H](NC(=O)CN)C(=O)O)c2ccccc21.
What is the InChIKey of (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The InChIKey is UDHDAAPRAVPQKL-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-17-8-9(10-4-2-3-5-12(10)17)6-11(14(19)20)16-13(18)7-15;/h2-5,8,11H,6-7,15H2,1H3,(H,16,18)(H,19,20);1H/t11-;/m1./s1.
What are the key properties of (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 126483330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).