(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate

C8H15N3O5 — CID 6992442

IUPAC(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)[O-]
InChIInChI=1S/C8H15N3O5/c1-4(8(15)16)10-7(14)5(3-12)11-6(13)2-9/h4-5,12H,2-3,9H2,1H3,(H,10,14)(H,11,13)(H,15,16)/t4-,5-/m0/s1
InChIKeyIRJWAYCXIYUHQE-WHFBIAKZSA-N
MW233.22 g/mol
LogP-5.04
Rot. Bonds6

About (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate

(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate (PubChem CID 6992442) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate
PubChem CID6992442
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)[O-]
InChIInChI=1S/C8H15N3O5/c1-4(8(15)16)10-7(14)5(3-12)11-6(13)2-9/h4-5,12H,2-3,9H2,1H3,(H,10,14)(H,11,13)(H,15,16)/t4-,5-/m0/s1
InChIKeyIRJWAYCXIYUHQE-WHFBIAKZSA-N
XLogP-5.04
TPSA146.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-5.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate 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-[(2-azaniumylacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 7016072
(2S)-2-[(2-azaniumylacetyl)amino]-7-[[(1R)-1-carboxyethyl]amino]-7-oxoheptanoate
CID 5289281
(2S)-5-[[(2S)-6-azaniumyl-1-[[(1R)-1-carboxylatoethyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-azaniumylpropanoyl]amino]-5-oxopentanoate
CID 134820170
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
CID 7017965
(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
CID 7015686
2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate
CID 23276218
2-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 18490644
(2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-hydroxypropanoate;trihydrate
CID 139059604
N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide
CID 126634892
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71350639
2-[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]propanoylamino]propanoic acid
CID 18238530
(2S)-2-acetamidopropanoate
CID 6926438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate?
The IUPAC name of (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate (CID 6992442) is (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate?
The canonical SMILES for (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate is C[C@H](NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)[O-].
What is the InChIKey of (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate?
The InChIKey is IRJWAYCXIYUHQE-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-4(8(15)16)10-7(14)5(3-12)11-6(13)2-9/h4-5,12H,2-3,9H2,1H3,(H,10,14)(H,11,13)(H,15,16)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate?
(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate has a molecular weight of 233.22 g/mol, XLogP of -5.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate is sourced from PubChem (CID 6992442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).