(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide

C14H29N3O2 — CID 10612186

IUPAC(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
SMILESCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H29N3O2/c1-5-7-9-16-13(18)11(8-6-2)17-14(19)12(15)10(3)4/h10-12H,5-9,15H2,1-4H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1
InChIKeyFRQOIIBQPLAETQ-RYUDHWBXSA-N
MW271.40 g/mol
LogP1.17
Rot. Bonds9

About (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide

(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide (PubChem CID 10612186) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
PubChem CID10612186
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
SMILESCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H29N3O2/c1-5-7-9-16-13(18)11(8-6-2)17-14(19)12(15)10(3)4/h10-12H,5-9,15H2,1-4H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1
InChIKeyFRQOIIBQPLAETQ-RYUDHWBXSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide (CID 10612186) is (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide is CCCCNC(=O)[C@H](CCC)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide?
The InChIKey is FRQOIIBQPLAETQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-7-9-16-13(18)11(8-6-2)17-14(19)12(15)10(3)4/h10-12H,5-9,15H2,1-4H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide?
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide has a molecular weight of 271.40 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide is sourced from PubChem (CID 10612186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).