(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide

C11H21N3O2 — CID 79401766

IUPAC(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
SMILESCC[C@@H](N)C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-2-9(12)11(16)13-7-3-4-10(15)14-8-5-6-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeySZLXERMWHPDIOE-SECBINFHSA-N
MW227.31 g/mol
LogP-0.10
Rot. Bonds7

About (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide

(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide (PubChem CID 79401766) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
PubChem CID79401766
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
SMILESCC[C@@H](N)C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-2-9(12)11(16)13-7-3-4-10(15)14-8-5-6-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeySZLXERMWHPDIOE-SECBINFHSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.10
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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Related Compounds

2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride
CID 119728342
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401012
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
CID 106151335

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide?
The IUPAC name of (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide (CID 79401766) is (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide is CC[C@@H](N)C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide?
The InChIKey is SZLXERMWHPDIOE-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-9(12)11(16)13-7-3-4-10(15)14-8-5-6-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide?
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide has a molecular weight of 227.31 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide is sourced from PubChem (CID 79401766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).