4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide

C9H18N2O2 — CID 102733144

IUPAC4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
SMILESNC(=O)CCCN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H18N2O2/c10-9(13)5-2-6-11-7-3-1-4-8(7)12/h7-8,11-12H,1-6H2,(H2,10,13)/t7-,8-/m0/s1
InChIKeyBNPGUCDFNYBLPN-YUMQZZPRSA-N
MW186.25 g/mol
LogP-0.25
Rot. Bonds5

About 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide

4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide (PubChem CID 102733144) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide.

Molecular Properties

Compound Name4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
PubChem CID102733144
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
SMILESNC(=O)CCCN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H18N2O2/c10-9(13)5-2-6-11-7-3-1-4-8(7)12/h7-8,11-12H,1-6H2,(H2,10,13)/t7-,8-/m0/s1
InChIKeyBNPGUCDFNYBLPN-YUMQZZPRSA-N
XLogP-0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-[(2-hydroxycycloheptyl)amino]ethylurea
CID 83121315
trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
CID 93451298
2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
CID 61036604
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide?
The IUPAC name of 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide (CID 102733144) is 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide.
What is the SMILES notation for 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide?
The canonical SMILES for 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide is NC(=O)CCCN[C@H]1CCC[C@@H]1O.
What is the InChIKey of 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide?
The InChIKey is BNPGUCDFNYBLPN-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-9(13)5-2-6-11-7-3-1-4-8(7)12/h7-8,11-12H,1-6H2,(H2,10,13)/t7-,8-/m0/s1.
What are the key properties of 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide?
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide has a molecular weight of 186.25 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide is sourced from PubChem (CID 102733144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).