2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide

C12H23N5O2 — CID 153036166

IUPAC2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide
SMILESCC(=O)NC(C(=O)N(C)C)[C@H]1CCC[C@@H]1N=C(N)N
InChIInChI=1S/C12H23N5O2/c1-7(18)15-10(11(19)17(2)3)8-5-4-6-9(8)16-12(13)14/h8-10H,4-6H2,1-3H3,(H,15,18)(H4,13,14,16)/t8-,9-,10?/m0/s1
InChIKeyVEUANUQWTJOPDG-XMCUXHSSSA-N
MW269.35 g/mol
LogP-0.98
Rot. Bonds4

About 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide

2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide (PubChem CID 153036166) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide
PubChem CID153036166
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide
SMILESCC(=O)NC(C(=O)N(C)C)[C@H]1CCC[C@@H]1N=C(N)N
InChIInChI=1S/C12H23N5O2/c1-7(18)15-10(11(19)17(2)3)8-5-4-6-9(8)16-12(13)14/h8-10H,4-6H2,1-3H3,(H,15,18)(H4,13,14,16)/t8-,9-,10?/m0/s1
InChIKeyVEUANUQWTJOPDG-XMCUXHSSSA-N
XLogP-0.98
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1S,3R,4S)-3-[(1R)-1-acetamido-2-(diethylamino)-2-oxoethyl]-4-(diaminomethylideneamino)-1-hydroxycyclopentane-1-carboxylic acid
CID 11451168
trans-(3R,4S)-3-[1-acetamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 5278618
3-[1-acetamido-2-[methyl(nonadecyl)amino]-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 22084246
trans-(3R,4S)-3-[1-acetamido-2-[methyl(nonadecyl)amino]-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 59897215
trans-(3R,4S)-3-[1-acetamido-2-(azepan-1-yl)-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 5278616
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286
cis-(3S,4S)-3-[1-acetamido-2-[ethyl(propyl)amino]-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 22084198
methyl (1S)-3-[1-acetamido-2-(diethylamino)-2-oxoethyl]-4-(diaminomethylideneamino)-1-hydroxycyclopentane-1-carboxylate
CID 59897247
(2R)-2-acetamido-2-[4-(diaminomethylideneamino)cyclohexyl]acetic acid
CID 22840786
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951
trans-(3R,4S)-3-[1-acetamido-2-(butan-2-ylamino)-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 5278585
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide?
The IUPAC name of 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide (CID 153036166) is 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide is CC(=O)NC(C(=O)N(C)C)[C@H]1CCC[C@@H]1N=C(N)N.
What is the InChIKey of 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide?
The InChIKey is VEUANUQWTJOPDG-XMCUXHSSSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-7(18)15-10(11(19)17(2)3)8-5-4-6-9(8)16-12(13)14/h8-10H,4-6H2,1-3H3,(H,15,18)(H4,13,14,16)/t8-,9-,10?/m0/s1.
What are the key properties of 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide?
2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide has a molecular weight of 269.35 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-[(1R,2S)-2-(diaminomethylideneamino)cyclopentyl]-N,N-dimethylacetamide is sourced from PubChem (CID 153036166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).