(2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid

C5H11N3O5 — CID 87754486

IUPAC(2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid
SMILESO=C(O)CNNN[C@@H](CO)C(=O)O
InChIInChI=1S/C5H11N3O5/c9-2-3(5(12)13)7-8-6-1-4(10)11/h3,6-9H,1-2H2,(H,10,11)(H,12,13)/t3-/m0/s1
InChIKeyKBXVYWGXHOUBBM-VKHMYHEASA-N
MW193.16 g/mol
LogP-2.88
Rot. Bonds7

About (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid

(2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid (PubChem CID 87754486) has the molecular formula C5H11N3O5 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid
PubChem CID87754486
Molecular FormulaC5H11N3O5
Molecular Weight193.16 g/mol
Exact Mass193.07
IUPAC Name(2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid
SMILESO=C(O)CNNN[C@@H](CO)C(=O)O
InChIInChI=1S/C5H11N3O5/c9-2-3(5(12)13)7-8-6-1-4(10)11/h3,6-9H,1-2H2,(H,10,11)(H,12,13)/t3-/m0/s1
InChIKeyKBXVYWGXHOUBBM-VKHMYHEASA-N
XLogP-2.88
TPSA130.92 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500193.16
LogP ≤ 5-2.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid
CID 90839265
(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid
CID 54566164
(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid
CID 155353279
CID 175878020
CID 175878020
2-[[(2S)-2-(chloroamino)-3-hydroxypropanoyl]amino]acetic acid
CID 131851142
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid
CID 178076766
(2R)-3-hydroxy-2-(methoxyamino)propanoic acid
CID 87285376
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
(2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxypropanoic acid
CID 44630224
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid (CID 87754486) is (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid is O=C(O)CNNN[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid?
The InChIKey is KBXVYWGXHOUBBM-VKHMYHEASA-N. The full InChI is InChI=1S/C5H11N3O5/c9-2-3(5(12)13)7-8-6-1-4(10)11/h3,6-9H,1-2H2,(H,10,11)(H,12,13)/t3-/m0/s1.
What are the key properties of (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid?
(2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid has a molecular weight of 193.16 g/mol, XLogP of -2.88, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 87754486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).