(2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid

C6H13N3O5 — CID 90839265

IUPAC(2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid
SMILESC[C@H](NNN[C@@H](CO)C(=O)O)C(=O)O
InChIInChI=1S/C6H13N3O5/c1-3(5(11)12)7-9-8-4(2-10)6(13)14/h3-4,7-10H,2H2,1H3,(H,11,12)(H,13,14)/t3-,4-/m0/s1
InChIKeyCDNLGKDPEBFSIV-IMJSIDKUSA-N
MW207.19 g/mol
LogP-2.50
Rot. Bonds7

About (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid

(2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid (PubChem CID 90839265) has the molecular formula C6H13N3O5 and a molecular weight of 207.19 g/mol. Its IUPAC name is (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid
PubChem CID90839265
Molecular FormulaC6H13N3O5
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name(2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid
SMILESC[C@H](NNN[C@@H](CO)C(=O)O)C(=O)O
InChIInChI=1S/C6H13N3O5/c1-3(5(11)12)7-9-8-4(2-10)6(13)14/h3-4,7-10H,2H2,1H3,(H,11,12)(H,13,14)/t3-,4-/m0/s1
InChIKeyCDNLGKDPEBFSIV-IMJSIDKUSA-N
XLogP-2.50
TPSA130.92 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500207.19
LogP ≤ 5-2.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
(2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid
CID 87754486
(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid
CID 155353279
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
(2S)-2-(2-acetamidopropanoylamino)-3-hydroxypropanoic acid
CID 61153507
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid
CID 178076766
2-(butan-2-ylamino)-3-hydroxypropanoic acid
CID 79689063
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
(2S)-2-(2-methylhydrazinyl)propanoic acid;hydrochloride
CID 135156009
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2R)-3-hydroxy-2-(methoxyamino)propanoic acid
CID 87285376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid (CID 90839265) is (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid is C[C@H](NNN[C@@H](CO)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid?
The InChIKey is CDNLGKDPEBFSIV-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H13N3O5/c1-3(5(11)12)7-9-8-4(2-10)6(13)14/h3-4,7-10H,2H2,1H3,(H,11,12)(H,13,14)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid?
(2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid has a molecular weight of 207.19 g/mol, XLogP of -2.50, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[[(1S)-1-carboxyethyl]amino]hydrazinyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 90839265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).