2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid

C7H15N3O3S — CID 18767599

IUPAC2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid
SMILESCSC(N)(CCCNC(N)=O)C(=O)O
InChIInChI=1S/C7H15N3O3S/c1-14-7(9,5(11)12)3-2-4-10-6(8)13/h2-4,9H2,1H3,(H,11,12)(H3,8,10,13)
InChIKeyRANOHXGXYIWYPU-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.46
Rot. Bonds6

About 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid

2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid (PubChem CID 18767599) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid
PubChem CID18767599
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid
SMILESCSC(N)(CCCNC(N)=O)C(=O)O
InChIInChI=1S/C7H15N3O3S/c1-14-7(9,5(11)12)3-2-4-10-6(8)13/h2-4,9H2,1H3,(H,11,12)(H3,8,10,13)
InChIKeyRANOHXGXYIWYPU-UHFFFAOYSA-N
XLogP-0.46
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-amino-4-methylpentyl)urea
CID 146343367
2-amino-2-methylsulfanylpentanoic acid
CID 175192194
pentylurea;hydrate
CID 172845599
2-(3,3-dimethylbutylamino)ethylurea
CID 83109796
3-chloropropylurea
CID 6421120
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
6-trimethoxysilylhexylurea
CID 87148927
1-tert-butyl-3-[4-(carbamoylamino)butyl]urea
CID 129172648
3-methoxypropylurea
CID 2064040
butylurea;silicic acid
CID 86735760
5-(carbamoylamino)-2-oxopentanoic acid
CID 13154348
2,4-diamino-2-[3-(carbamoylamino)propyl]-3-oxo-5-phenylpentanoic acid
CID 67130810

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid?
The IUPAC name of 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid (CID 18767599) is 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid.
What is the SMILES notation for 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid?
The canonical SMILES for 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid is CSC(N)(CCCNC(N)=O)C(=O)O.
What is the InChIKey of 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid?
The InChIKey is RANOHXGXYIWYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-14-7(9,5(11)12)3-2-4-10-6(8)13/h2-4,9H2,1H3,(H,11,12)(H3,8,10,13).
What are the key properties of 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid?
2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid has a molecular weight of 221.28 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid is sourced from PubChem (CID 18767599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).