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

C10H20N2O2S — CID 77278340

IUPAC2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide
SMILESCCCSCC(N)C(=O)NC1(CO)CC1
InChIInChI=1S/C10H20N2O2S/c1-2-5-15-6-8(11)9(14)12-10(7-13)3-4-10/h8,13H,2-7,11H2,1H3,(H,12,14)
InChIKeyZSQYFARQFNEOJS-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.10
Rot. Bonds7

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

2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide (PubChem CID 77278340) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide
PubChem CID77278340
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide
SMILESCCCSCC(N)C(=O)NC1(CO)CC1
InChIInChI=1S/C10H20N2O2S/c1-2-5-15-6-8(11)9(14)12-10(7-13)3-4-10/h8,13H,2-7,11H2,1H3,(H,12,14)
InChIKeyZSQYFARQFNEOJS-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide
CID 104873451
N-[(2R)-1-[(2R)-2-amino-3-[[1-(hydroxymethyl)cyclopropyl]amino]-3-oxopropyl]sulfanyl-3-hexadecoxypropan-2-yl]dodec-2-enamide
CID 142800900
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
CID 114350792
3-amino-4-[(1-methoxy-1-oxo-3-propylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid
CID 54324498
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
2-amino-N-(1-methylcyclopropyl)pentanamide
CID 115734282
ethyl (2R)-2-amino-3-pentylsulfanylpropanoate
CID 57063851
(2S)-2-amino-N-(1-ethylcyclopropyl)propanamide
CID 131186061
2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
CID 79845445
(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 78991060

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide?
The IUPAC name of 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide (CID 77278340) is 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide?
The canonical SMILES for 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide is CCCSCC(N)C(=O)NC1(CO)CC1.
What is the InChIKey of 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide?
The InChIKey is ZSQYFARQFNEOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-5-15-6-8(11)9(14)12-10(7-13)3-4-10/h8,13H,2-7,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide?
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide has a molecular weight of 232.35 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-propylsulfanylpropanamide is sourced from PubChem (CID 77278340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).