(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide

C8H17N5O3 — CID 18609889

IUPAC(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide
SMILESNC(=O)CNC(=O)[C@@H](N)CCCNC(N)=O
InChIInChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(11)16)7(15)13-4-6(10)14/h5H,1-4,9H2,(H2,10,14)(H,13,15)(H3,11,12,16)/t5-/m0/s1
InChIKeyJAXIEUYYQDJWQC-YFKPBYRVSA-N
MW231.26 g/mol
LogP-2.64
Rot. Bonds7

About (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide

(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide (PubChem CID 18609889) has the molecular formula C8H17N5O3 and a molecular weight of 231.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide
PubChem CID18609889
Molecular FormulaC8H17N5O3
Molecular Weight231.26 g/mol
Exact Mass231.13
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide
SMILESNC(=O)CNC(=O)[C@@H](N)CCCNC(N)=O
InChIInChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(11)16)7(15)13-4-6(10)14/h5H,1-4,9H2,(H2,10,14)(H,13,15)(H3,11,12,16)/t5-/m0/s1
InChIKeyJAXIEUYYQDJWQC-YFKPBYRVSA-N
XLogP-2.64
TPSA153.33 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-2.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide 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

(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
2-[3-[[2-amino-5-(carbamoylamino)pentanoyl]amino]-2-oxopropyl]butanedioic acid
CID 89042288
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
2-amino-6-(carbamoylamino)-N-methylhexanamide
CID 137464971
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
CID 174823940
(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]butanedioic acid
CID 175698479
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
bis[(2R)-2-amino-5-(carbamoylamino)pentanoyl] butanedioate
CID 174847898
[(4S)-4-amino-5-hydroxypentyl]urea
CID 122174122
phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate
CID 175024515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide (CID 18609889) is (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide is NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=O.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide?
The InChIKey is JAXIEUYYQDJWQC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(11)16)7(15)13-4-6(10)14/h5H,1-4,9H2,(H2,10,14)(H,13,15)(H3,11,12,16)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide?
(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide has a molecular weight of 231.26 g/mol, XLogP of -2.64, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide is sourced from PubChem (CID 18609889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).