N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide

C10H21N3O — CID 142485578

IUPACN-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide
SMILESCC(=O)NC[C@@H](N)CCC(N)C1CC1
InChIInChI=1S/C10H21N3O/c1-7(14)13-6-9(11)4-5-10(12)8-2-3-8/h8-10H,2-6,11-12H2,1H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyIWXCBXKKMNOZSU-RGURZIINSA-N
MW199.30 g/mol
LogP-0.03
Rot. Bonds6

About N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide

N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide (PubChem CID 142485578) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide
PubChem CID142485578
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide
SMILESCC(=O)NC[C@@H](N)CCC(N)C1CC1
InChIInChI=1S/C10H21N3O/c1-7(14)13-6-9(11)4-5-10(12)8-2-3-8/h8-10H,2-6,11-12H2,1H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyIWXCBXKKMNOZSU-RGURZIINSA-N
XLogP-0.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-amino-4-methylpentyl]acetamide
CID 127044707
N-(2-propylcycloheptyl)acetamide
CID 3253519
N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide
CID 145277312
N-(1-cyclopropyl-3-methylbutan-2-yl)-2,2,2-trifluoroacetamide
CID 167255037
N-(6-methylheptan-2-yl)acetamide
CID 57638406
N'-(3,7-dimethyloctyl)-N-methyloxamide
CID 59266743
(S)-2-amino-4-methyl-N-octylpentanamide
CID 83299787
N-(2,6-dimethylheptan-4-yl)acetamide
CID 177155812
N-(2-ethylcycloheptyl)acetamide
CID 4016316
2-amino-N-(2-propylpentyl)acetamide
CID 21121500
2-amino-N-decyl-3-methylbutanamide
CID 76107800
N-[(1S,2R)-2-methylcycloheptyl]acetamide
CID 162401737

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide?
The IUPAC name of N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide (CID 142485578) is N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide.
What is the SMILES notation for N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide?
The canonical SMILES for N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide is CC(=O)NC[C@@H](N)CCC(N)C1CC1.
What is the InChIKey of N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide?
The InChIKey is IWXCBXKKMNOZSU-RGURZIINSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(14)13-6-9(11)4-5-10(12)8-2-3-8/h8-10H,2-6,11-12H2,1H3,(H,13,14)/t9-,10?/m0/s1.
What are the key properties of N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide?
N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide has a molecular weight of 199.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide is sourced from PubChem (CID 142485578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).