[(4S)-4-amino-5-hydroxypentyl]urea

C6H15N3O2 — CID 122174122

IUPAC[(4S)-4-amino-5-hydroxypentyl]urea
SMILESNC(=O)NCCC[C@H](N)CO
InChIInChI=1S/C6H15N3O2/c7-5(4-10)2-1-3-9-6(8)11/h5,10H,1-4,7H2,(H3,8,9,11)/t5-/m0/s1
InChIKeyHGTXBKGLNGJVHB-YFKPBYRVSA-N
MW161.20 g/mol
LogP-1.25
Rot. Bonds5

About [(4S)-4-amino-5-hydroxypentyl]urea

[(4S)-4-amino-5-hydroxypentyl]urea (PubChem CID 122174122) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is [(4S)-4-amino-5-hydroxypentyl]urea.

Molecular Properties

Compound Name[(4S)-4-amino-5-hydroxypentyl]urea
PubChem CID122174122
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name[(4S)-4-amino-5-hydroxypentyl]urea
SMILESNC(=O)NCCC[C@H](N)CO
InChIInChI=1S/C6H15N3O2/c7-5(4-10)2-1-3-9-6(8)11/h5,10H,1-4,7H2,(H3,8,9,11)/t5-/m0/s1
InChIKeyHGTXBKGLNGJVHB-YFKPBYRVSA-N
XLogP-1.25
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-4-amino-5-hydroxypentyl]carbamic acid
CID 87488946
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
12-hydroxydodecylurea
CID 57265418
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid
CID 131955130
potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
CID 174823940
(3-amino-4-hydroxybutyl)carbamic acid
CID 129243477
3-cyanopropylurea
CID 62667023
(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide
CID 18609889
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-5-hydroxypentyl]urea?
The IUPAC name of [(4S)-4-amino-5-hydroxypentyl]urea (CID 122174122) is [(4S)-4-amino-5-hydroxypentyl]urea.
What is the SMILES notation for [(4S)-4-amino-5-hydroxypentyl]urea?
The canonical SMILES for [(4S)-4-amino-5-hydroxypentyl]urea is NC(=O)NCCC[C@H](N)CO.
What is the InChIKey of [(4S)-4-amino-5-hydroxypentyl]urea?
The InChIKey is HGTXBKGLNGJVHB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N3O2/c7-5(4-10)2-1-3-9-6(8)11/h5,10H,1-4,7H2,(H3,8,9,11)/t5-/m0/s1.
What are the key properties of [(4S)-4-amino-5-hydroxypentyl]urea?
[(4S)-4-amino-5-hydroxypentyl]urea has a molecular weight of 161.20 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-5-hydroxypentyl]urea is sourced from PubChem (CID 122174122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).