(Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide

C9H18N2O — CID 11586505

IUPAC(Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide
SMILESC/C(=C/[C@H](C)N)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)11-9(12)7(3)5-8(4)10/h5-6,8H,10H2,1-4H3,(H,11,12)/b7-5-/t8-/m0/s1
InChIKeyRWPCYCFYZVESQB-TVSKSKRASA-N
MW170.26 g/mol
LogP0.80
Rot. Bonds3

About (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide

(Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide (PubChem CID 11586505) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide.

Molecular Properties

Compound Name(Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide
PubChem CID11586505
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide
SMILESC/C(=C/[C@H](C)N)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)11-9(12)7(3)5-8(4)10/h5-6,8H,10H2,1-4H3,(H,11,12)/b7-5-/t8-/m0/s1
InChIKeyRWPCYCFYZVESQB-TVSKSKRASA-N
XLogP0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-2-oxo-N-propan-2-ylbutanamide
CID 142494367
(2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide
CID 134458144
2-oxo-2-(propan-2-ylamino)acetic acid
CID 7183008
propyl 4-amino-2-methylpent-2-enoate
CID 173339937
prop-2-enyl 4-amino-2-methylpent-2-enoate
CID 173130673
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
(Z)-3-amino-N-propan-2-ylbut-2-enamide
CID 55280984
4-methyl-2-methylidene-3-oxo-N-propan-2-ylpent-4-enamide
CID 170550379
(Z)-4-aminopent-2-en-2-ol;ethane
CID 143707909
(2Z,4Z)-2-hydrazinyl-N-propan-2-ylhexa-2,4-dienamide
CID 134458222
2-methoxy-N-propan-2-ylprop-2-enamide
CID 13399116
2,3-diamino-N-propan-2-ylpropanamide
CID 166956225

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide?
The IUPAC name of (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide (CID 11586505) is (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide.
What is the SMILES notation for (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide?
The canonical SMILES for (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide is C/C(=C/[C@H](C)N)C(=O)NC(C)C.
What is the InChIKey of (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide?
The InChIKey is RWPCYCFYZVESQB-TVSKSKRASA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)11-9(12)7(3)5-8(4)10/h5-6,8H,10H2,1-4H3,(H,11,12)/b7-5-/t8-/m0/s1.
What are the key properties of (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide?
(Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide is sourced from PubChem (CID 11586505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).