(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid

C10H18N4O5 — CID 175894860

IUPAC(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid
SMILESCC(=O)NCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5/c1-6(15)13-5-8(16)14-7(9(17)18)3-2-4-12-10(11)19/h7H,2-5H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H3,11,12,19)/t7-/m0/s1
InChIKeyWYCZQYGDJFSIQR-ZETCQYMHSA-N
MW274.28 g/mol
LogP-1.86
Rot. Bonds8

About (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid

(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid (PubChem CID 175894860) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid
PubChem CID175894860
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid
SMILESCC(=O)NCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5/c1-6(15)13-5-8(16)14-7(9(17)18)3-2-4-12-10(11)19/h7H,2-5H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H3,11,12,19)/t7-/m0/s1
InChIKeyWYCZQYGDJFSIQR-ZETCQYMHSA-N
XLogP-1.86
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)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-(propanoylamino)pentanoic acid
CID 87631633
(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid
CID 107562837
2,5-diacetamidopentanoic acid
CID 10398396
(2S)-5-(carbamoylamino)-2-(tricosanoylamino)pentanoic acid
CID 171116714
(2S)-5-(carbamoylamino)-2-(octanoylamino)pentanoic acid
CID 22865601
2-[(2-acetamidoacetyl)amino]-4-amino-4-oxobutanoic acid
CID 24700920
(2R)-2,6-bis(carbamoylamino)hexanoic acid
CID 2512815
(2S)-5-(carbamoylamino)-2-[[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]acetyl]amino]pentanoic acid
CID 139458514
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]pentanoic acid;propane
CID 156647066
(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
CID 22864128
(2S)-5-(carbamoylamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid
CID 127035774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid (CID 175894860) is (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid is CC(=O)NCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid?
The InChIKey is WYCZQYGDJFSIQR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-6(15)13-5-8(16)14-7(9(17)18)3-2-4-12-10(11)19/h7H,2-5H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H3,11,12,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid?
(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid has a molecular weight of 274.28 g/mol, XLogP of -1.86, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid is sourced from PubChem (CID 175894860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).