(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide

C10H20N2O2 — CID 104873451

IUPAC(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1(CO)CC1
InChIInChI=1S/C10H20N2O2/c1-3-7(2)8(11)9(14)12-10(6-13)4-5-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t7?,8-/m0/s1
InChIKeyQXDDDNMJHSSELJ-MQWKRIRWSA-N
MW200.28 g/mol
LogP0.00
Rot. Bonds5

About (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide

(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide (PubChem CID 104873451) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide
PubChem CID104873451
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1(CO)CC1
InChIInChI=1S/C10H20N2O2/c1-3-7(2)8(11)9(14)12-10(6-13)4-5-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t7?,8-/m0/s1
InChIKeyQXDDDNMJHSSELJ-MQWKRIRWSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
CID 62551339
2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702115
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62520053
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
[(2S,3S)-2-amino-3-methylpentanoyl]carbamic acid
CID 139812366
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide (CID 104873451) is (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NC1(CO)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide?
The InChIKey is QXDDDNMJHSSELJ-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-7(2)8(11)9(14)12-10(6-13)4-5-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide?
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide has a molecular weight of 200.28 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide is sourced from PubChem (CID 104873451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).