(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid

C8H17N3O3 — CID 22864128

IUPAC(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
SMILESCCN[C@@H](CCCNC(N)=O)C(=O)O
InChIInChI=1S/C8H17N3O3/c1-2-10-6(7(12)13)4-3-5-11-8(9)14/h6,10H,2-5H2,1H3,(H,12,13)(H3,9,11,14)/t6-/m0/s1
InChIKeyRIBOECSPZDVYSP-LURJTMIESA-N
MW203.24 g/mol
LogP-0.50
Rot. Bonds7

About (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid

(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid (PubChem CID 22864128) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
PubChem CID22864128
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
SMILESCCN[C@@H](CCCNC(N)=O)C(=O)O
InChIInChI=1S/C8H17N3O3/c1-2-10-6(7(12)13)4-3-5-11-8(9)14/h6,10H,2-5H2,1H3,(H,12,13)(H3,9,11,14)/t6-/m0/s1
InChIKeyRIBOECSPZDVYSP-LURJTMIESA-N
XLogP-0.50
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid 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)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
(2S)-5-(carbamoylamino)-2-(propanoylamino)pentanoic acid
CID 87631633
(2R)-6-acetamido-2-(ethylamino)hexanoic acid
CID 89026555
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
(2S)-6-(carbamoylamino)-2-(phosphonomethylamino)hexanoic acid
CID 25153969
(2R)-2,6-bis(carbamoylamino)hexanoic acid
CID 2512815
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
(2S)-5-(carbamoylamino)-2-(octanoylamino)pentanoic acid
CID 22865601
(2S)-5-(carbamoylamino)-2-(tricosanoylamino)pentanoic acid
CID 171116714
2-(ethylamino)hexanedioic acid
CID 88869975
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid?
The IUPAC name of (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid (CID 22864128) is (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid?
The canonical SMILES for (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid is CCN[C@@H](CCCNC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid?
The InChIKey is RIBOECSPZDVYSP-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O3/c1-2-10-6(7(12)13)4-3-5-11-8(9)14/h6,10H,2-5H2,1H3,(H,12,13)(H3,9,11,14)/t6-/m0/s1.
What are the key properties of (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid?
(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.50, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid is sourced from PubChem (CID 22864128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).