2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid

C12H22N2O3 — CID 43656094

IUPAC2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)CC1CC1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-4-14(9(2)3)12(17)13(8-11(15)16)7-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyWAWYRPXLSIAAHZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.63
Rot. Bonds6

About 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid (PubChem CID 43656094) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
PubChem CID43656094
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)CC1CC1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-4-14(9(2)3)12(17)13(8-11(15)16)7-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyWAWYRPXLSIAAHZ-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 61195638
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2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[cyclopropylmethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]acetic acid
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2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid (CID 43656094) is 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid is CCN(C(=O)N(CC(=O)O)CC1CC1)C(C)C.
What is the InChIKey of 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is WAWYRPXLSIAAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-14(9(2)3)12(17)13(8-11(15)16)7-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43656094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).