(3-amino-4-phenylbutyl)carbamic acid

C11H16N2O2 — CID 68670324

IUPAC(3-amino-4-phenylbutyl)carbamic acid
SMILESNC(CCNC(=O)O)Cc1ccccc1
InChIInChI=1S/C11H16N2O2/c12-10(6-7-13-11(14)15)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15)
InChIKeyGGDQVPSFUNIBLC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.21
Rot. Bonds5

About (3-amino-4-phenylbutyl)carbamic acid

(3-amino-4-phenylbutyl)carbamic acid (PubChem CID 68670324) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-amino-4-phenylbutyl)carbamic acid.

Molecular Properties

Compound Name(3-amino-4-phenylbutyl)carbamic acid
PubChem CID68670324
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3-amino-4-phenylbutyl)carbamic acid
SMILESNC(CCNC(=O)O)Cc1ccccc1
InChIInChI=1S/C11H16N2O2/c12-10(6-7-13-11(14)15)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15)
InChIKeyGGDQVPSFUNIBLC-UHFFFAOYSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-hydroxy-5,6-diphenylhexyl)carbamic acid
CID 68975919
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea
CID 166259436
N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 154844001
5-amino-6-phenylhexan-2-one
CID 90094782
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
(2-amino-3-phenylpropyl)urea
CID 137464572
2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide
CID 166369486
N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
1,4-diphenylbutan-2-amine
CID 60820174

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phenylbutyl)carbamic acid?
The IUPAC name of (3-amino-4-phenylbutyl)carbamic acid (CID 68670324) is (3-amino-4-phenylbutyl)carbamic acid.
What is the SMILES notation for (3-amino-4-phenylbutyl)carbamic acid?
The canonical SMILES for (3-amino-4-phenylbutyl)carbamic acid is NC(CCNC(=O)O)Cc1ccccc1.
What is the InChIKey of (3-amino-4-phenylbutyl)carbamic acid?
The InChIKey is GGDQVPSFUNIBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-10(6-7-13-11(14)15)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15).
What are the key properties of (3-amino-4-phenylbutyl)carbamic acid?
(3-amino-4-phenylbutyl)carbamic acid has a molecular weight of 208.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phenylbutyl)carbamic acid is sourced from PubChem (CID 68670324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).