(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid

C10H20N4O5 — CID 90823194

IUPAC(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid
SMILESCN[C@@H](COC(=O)[C@@H](N)CCCNC(N)=O)C(=O)O
InChIInChI=1S/C10H20N4O5/c1-13-7(8(15)16)5-19-9(17)6(11)3-2-4-14-10(12)18/h6-7,13H,2-5,11H2,1H3,(H,15,16)(H3,12,14,18)/t6-,7-/m0/s1
InChIKeyPQNNICIZIFUSHJ-BQBZGAKWSA-N
MW276.29 g/mol
LogP-2.02
Rot. Bonds9

About (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid

(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid (PubChem CID 90823194) has the molecular formula C10H20N4O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid
PubChem CID90823194
Molecular FormulaC10H20N4O5
Molecular Weight276.29 g/mol
Exact Mass276.14
IUPAC Name(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid
SMILESCN[C@@H](COC(=O)[C@@H](N)CCCNC(N)=O)C(=O)O
InChIInChI=1S/C10H20N4O5/c1-13-7(8(15)16)5-19-9(17)6(11)3-2-4-14-10(12)18/h6-7,13H,2-5,11H2,1H3,(H,15,16)(H3,12,14,18)/t6-,7-/m0/s1
InChIKeyPQNNICIZIFUSHJ-BQBZGAKWSA-N
XLogP-2.02
TPSA156.77 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
CID 174823940
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]butanedioic acid
CID 175698479
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
5-(carbamoylamino)-2-(methylamino)pentanethioic S-acid
CID 174639174
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
CID 22864128
bis[(2R)-2-amino-5-(carbamoylamino)pentanoyl] butanedioate
CID 174847898

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid (CID 90823194) is (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid is CN[C@@H](COC(=O)[C@@H](N)CCCNC(N)=O)C(=O)O.
What is the InChIKey of (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid?
The InChIKey is PQNNICIZIFUSHJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H20N4O5/c1-13-7(8(15)16)5-19-9(17)6(11)3-2-4-14-10(12)18/h6-7,13H,2-5,11H2,1H3,(H,15,16)(H3,12,14,18)/t6-,7-/m0/s1.
What are the key properties of (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid?
(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid has a molecular weight of 276.29 g/mol, XLogP of -2.02, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid is sourced from PubChem (CID 90823194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).