(2-amino-1-phenylpropyl)-carbamoylcarbamic acid

C11H15N3O3 — CID 175172899

IUPAC(2-amino-1-phenylpropyl)-carbamoylcarbamic acid
SMILESCC(N)C(c1ccccc1)N(C(N)=O)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(12)9(8-5-3-2-4-6-8)14(10(13)15)11(16)17/h2-7,9H,12H2,1H3,(H2,13,15)(H,16,17)
InChIKeySQMRHKYAXPLWPX-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.13
Rot. Bonds3

About (2-amino-1-phenylpropyl)-carbamoylcarbamic acid

(2-amino-1-phenylpropyl)-carbamoylcarbamic acid (PubChem CID 175172899) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2-amino-1-phenylpropyl)-carbamoylcarbamic acid.

Molecular Properties

Compound Name(2-amino-1-phenylpropyl)-carbamoylcarbamic acid
PubChem CID175172899
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2-amino-1-phenylpropyl)-carbamoylcarbamic acid
SMILESCC(N)C(c1ccccc1)N(C(N)=O)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(12)9(8-5-3-2-4-6-8)14(10(13)15)11(16)17/h2-7,9H,12H2,1H3,(H2,13,15)(H,16,17)
InChIKeySQMRHKYAXPLWPX-UHFFFAOYSA-N
XLogP1.13
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide
CID 55017596
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
(2-fluoro-1-phenylpropyl)-methylcarbamic acid
CID 57373616
1-N-methyl-1-N-(4-methylpentan-2-yl)-1-phenylpropane-1,2-diamine
CID 55017229
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
amino(benzhydryl)carbamic acid
CID 135383570
bis(carbamothioic S-acid);cumene
CID 87644989
(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
CID 174804503

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-phenylpropyl)-carbamoylcarbamic acid?
The IUPAC name of (2-amino-1-phenylpropyl)-carbamoylcarbamic acid (CID 175172899) is (2-amino-1-phenylpropyl)-carbamoylcarbamic acid.
What is the SMILES notation for (2-amino-1-phenylpropyl)-carbamoylcarbamic acid?
The canonical SMILES for (2-amino-1-phenylpropyl)-carbamoylcarbamic acid is CC(N)C(c1ccccc1)N(C(N)=O)C(=O)O.
What is the InChIKey of (2-amino-1-phenylpropyl)-carbamoylcarbamic acid?
The InChIKey is SQMRHKYAXPLWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(12)9(8-5-3-2-4-6-8)14(10(13)15)11(16)17/h2-7,9H,12H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of (2-amino-1-phenylpropyl)-carbamoylcarbamic acid?
(2-amino-1-phenylpropyl)-carbamoylcarbamic acid has a molecular weight of 237.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-phenylpropyl)-carbamoylcarbamic acid is sourced from PubChem (CID 175172899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).