(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride

C6H14ClN3O3 — CID 72941546

IUPAC(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
SMILESCl.NC(=O)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13N3O3.ClH/c7-4(5(10)11)2-1-3-9-6(8)12;/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);1H/t4-;/m0./s1
InChIKeyRSQCFPZQHNPAAZ-WCCKRBBISA-N
MW211.65 g/mol
LogP-0.73
Rot. Bonds5

About (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride

(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride (PubChem CID 72941546) has the molecular formula C6H14ClN3O3 and a molecular weight of 211.65 g/mol. Its IUPAC name is (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
PubChem CID72941546
Molecular FormulaC6H14ClN3O3
Molecular Weight211.65 g/mol
Exact Mass211.07
IUPAC Name(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
SMILESCl.NC(=O)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13N3O3.ClH/c7-4(5(10)11)2-1-3-9-6(8)12;/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);1H/t4-;/m0./s1
InChIKeyRSQCFPZQHNPAAZ-WCCKRBBISA-N
XLogP-0.73
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
calcium;bis((2S)-2-amino-5-(carbamoylamino)pentanoate);tetrakis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);titanium
CID 169088109
bis(2-amino-5-(carbamoylamino)pentanoic acid);2-hydroxybutanedioic acid
CID 46189968
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;3-hydroxybutanoic acid
CID 90459681
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
CID 101417077
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
CID 23208419
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 88741926
2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid
CID 46932128
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 122669620

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride (CID 72941546) is (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride is Cl.NC(=O)NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride?
The InChIKey is RSQCFPZQHNPAAZ-WCCKRBBISA-N. The full InChI is InChI=1S/C6H13N3O3.ClH/c7-4(5(10)11)2-1-3-9-6(8)12;/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);1H/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride?
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of -0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 72941546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).