[3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid

C9H20N2O3 — CID 91302836

IUPAC[3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid
SMILESCC(C)CCNC(O)CCNC(=O)O
InChIInChI=1S/C9H20N2O3/c1-7(2)3-5-10-8(12)4-6-11-9(13)14/h7-8,10-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyXPGMGPJMFADNOM-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.60
Rot. Bonds7

About [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid

[3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid (PubChem CID 91302836) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid.

Molecular Properties

Compound Name[3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid
PubChem CID91302836
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name[3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid
SMILESCC(C)CCNC(O)CCNC(=O)O
InChIInChI=1S/C9H20N2O3/c1-7(2)3-5-10-8(12)4-6-11-9(13)14/h7-8,10-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyXPGMGPJMFADNOM-UHFFFAOYSA-N
XLogP0.60
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylbutylamino)-4-oxo-2,3-bis(sulfanyl)butanoic acid
CID 87837741
[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid
CID 173493038
1,3-bis(3-methylbutyl)urea
CID 22563958
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964
3,3-bis(dimethylsilyl)propylcarbamic acid
CID 173292919
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
3-methyloctylcarbamic acid
CID 176952231
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid?
The IUPAC name of [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid (CID 91302836) is [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid.
What is the SMILES notation for [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid?
The canonical SMILES for [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid is CC(C)CCNC(O)CCNC(=O)O.
What is the InChIKey of [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid?
The InChIKey is XPGMGPJMFADNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(2)3-5-10-8(12)4-6-11-9(13)14/h7-8,10-12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid?
[3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid has a molecular weight of 204.27 g/mol, XLogP of 0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid is sourced from PubChem (CID 91302836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).