1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide

C12H22N4O3 — CID 54061223

IUPAC1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1(N)CC1)C(=O)NCC(N)=O
InChIInChI=1S/C12H22N4O3/c1-7(2)5-8(10(18)15-6-9(13)17)16-11(19)12(14)3-4-12/h7-8H,3-6,14H2,1-2H3,(H2,13,17)(H,15,18)(H,16,19)/t8-/m0/s1
InChIKeyLZVKZXBUBAZHAK-QMMMGPOBSA-N
MW270.33 g/mol
LogP-1.39
Rot. Bonds7

About 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide

1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide (PubChem CID 54061223) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide
PubChem CID54061223
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1(N)CC1)C(=O)NCC(N)=O
InChIInChI=1S/C12H22N4O3/c1-7(2)5-8(10(18)15-6-9(13)17)16-11(19)12(14)3-4-12/h7-8H,3-6,14H2,1-2H3,(H2,13,17)(H,15,18)(H,16,19)/t8-/m0/s1
InChIKeyLZVKZXBUBAZHAK-QMMMGPOBSA-N
XLogP-1.39
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide (CID 54061223) is 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide is CC(C)C[C@H](NC(=O)C1(N)CC1)C(=O)NCC(N)=O.
What is the InChIKey of 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is LZVKZXBUBAZHAK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-7(2)5-8(10(18)15-6-9(13)17)16-11(19)12(14)3-4-12/h7-8H,3-6,14H2,1-2H3,(H2,13,17)(H,15,18)(H,16,19)/t8-/m0/s1.
What are the key properties of 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide?
1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -1.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 54061223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).