(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate

C9H17N3O7 — CID 7015686

IUPAC(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
SMILES[NH3+][C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)[O-]
InChIInChI=1S/C9H17N3O7/c10-4(1-13)7(16)11-5(2-14)8(17)12-6(3-15)9(18)19/h4-6,13-15H,1-3,10H2,(H,11,16)(H,12,17)(H,18,19)/t4-,5-,6-/m0/s1
InChIKeyXQJCEKXQUJQNNK-ZLUOBGJFSA-N
MW279.25 g/mol
LogP-6.71
Rot. Bonds8

About (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate

(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate (PubChem CID 7015686) has the molecular formula C9H17N3O7 and a molecular weight of 279.25 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
PubChem CID7015686
Molecular FormulaC9H17N3O7
Molecular Weight279.25 g/mol
Exact Mass279.11
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
SMILES[NH3+][C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)[O-]
InChIInChI=1S/C9H17N3O7/c10-4(1-13)7(16)11-5(2-14)8(17)12-6(3-15)9(18)19/h4-6,13-15H,1-3,10H2,(H,11,16)(H,12,17)(H,18,19)/t4-,5-,6-/m0/s1
InChIKeyXQJCEKXQUJQNNK-ZLUOBGJFSA-N
XLogP-6.71
TPSA186.66 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.25
LogP ≤ 5-6.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-hydroxypropanoate;trihydrate
CID 139059604
2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate
CID 23276218
(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate
CID 6992442
(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 40520321
(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-sulfanylpropanoate
CID 155903251
(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate
CID 6992389
(2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoyl]amino]butanedioate
CID 7009611
(2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]butanedioate
CID 7009607
(2S)-2-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 6992311
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 145434364
2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18221139
(2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoyl]amino]-4-methylpentanoate
CID 6992562

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate?
The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate (CID 7015686) is (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate?
The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate is [NH3+][C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)[O-].
What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate?
The InChIKey is XQJCEKXQUJQNNK-ZLUOBGJFSA-N. The full InChI is InChI=1S/C9H17N3O7/c10-4(1-13)7(16)11-5(2-14)8(17)12-6(3-15)9(18)19/h4-6,13-15H,1-3,10H2,(H,11,16)(H,12,17)(H,18,19)/t4-,5-,6-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate?
(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate has a molecular weight of 279.25 g/mol, XLogP of -6.71, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 7015686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).