(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide

C12H25N3O — CID 62975934

IUPAC(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCN(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-9(2)11(13)12(16)14-7-8-15(3)10-5-6-10/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t9-,11-/m0/s1
InChIKeyMQDDIDPOWSNXDI-ONGXEEELSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds7

About (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide (PubChem CID 62975934) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
PubChem CID62975934
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCN(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-9(2)11(13)12(16)14-7-8-15(3)10-5-6-10/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t9-,11-/m0/s1
InChIKeyMQDDIDPOWSNXDI-ONGXEEELSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863
6-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylheptanamide
CID 65291228
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808
2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62979214
2-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbutanamide
CID 55139681
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide
CID 61174087
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide (CID 62975934) is (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NCCN(C)C1CC1.
What is the InChIKey of (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide?
The InChIKey is MQDDIDPOWSNXDI-ONGXEEELSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-9(2)11(13)12(16)14-7-8-15(3)10-5-6-10/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide is sourced from PubChem (CID 62975934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).