2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid

C11H20N2O3 — CID 103869519

IUPAC2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCCC[C@H](N)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H20N2O3/c1-2-3-9(12)11(16)13(7-10(14)15)6-8-4-5-8/h8-9H,2-7,12H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyVEIZWUGNXFTFJQ-VIFPVBQESA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds7

About 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid

2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 103869519) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID103869519
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCCC[C@H](N)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H20N2O3/c1-2-3-9(12)11(16)13(7-10(14)15)6-8-4-5-8/h8-9H,2-7,12H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyVEIZWUGNXFTFJQ-VIFPVBQESA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
CID 113304824
2-amino-N-(cyclohexylmethyl)-N-propylpentanamide;hydrochloride
CID 119302235
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
CID 107570062
2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(cyclohexylmethyl)amino]acetic acid
CID 54125507
2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
CID 119305518
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221
(2R)-2-amino-N-(cyclobutylmethyl)-N-methylpentanamide
CID 103796269
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid (CID 103869519) is 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid is CCC[C@H](N)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is VEIZWUGNXFTFJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-9(12)11(16)13(7-10(14)15)6-8-4-5-8/h8-9H,2-7,12H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 103869519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).