1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide

C14H24N4O4 — CID 165064552

IUPAC1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)[C@H](CC(N)=O)NC(=O)C1CCCN1C(=O)CN
InChIInChI=1S/C14H24N4O4/c1-2-4-11(19)9(7-12(16)20)17-14(22)10-5-3-6-18(10)13(21)8-15/h9-10H,2-8,15H2,1H3,(H2,16,20)(H,17,22)/t9-,10?/m0/s1
InChIKeyRTEJFGVGKDTQBC-RGURZIINSA-N
MW312.37 g/mol
LogP-1.33
Rot. Bonds8

About 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide

1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide (PubChem CID 165064552) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide
PubChem CID165064552
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)[C@H](CC(N)=O)NC(=O)C1CCCN1C(=O)CN
InChIInChI=1S/C14H24N4O4/c1-2-4-11(19)9(7-12(16)20)17-14(22)10-5-3-6-18(10)13(21)8-15/h9-10H,2-8,15H2,1H3,(H2,16,20)(H,17,22)/t9-,10?/m0/s1
InChIKeyRTEJFGVGKDTQBC-RGURZIINSA-N
XLogP-1.33
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide (CID 165064552) is 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide is CCCC(=O)[C@H](CC(N)=O)NC(=O)C1CCCN1C(=O)CN.
What is the InChIKey of 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is RTEJFGVGKDTQBC-RGURZIINSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-2-4-11(19)9(7-12(16)20)17-14(22)10-5-3-6-18(10)13(21)8-15/h9-10H,2-8,15H2,1H3,(H2,16,20)(H,17,22)/t9-,10?/m0/s1.
What are the key properties of 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide?
1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of -1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-N-[(3S)-1-amino-1,4-dioxoheptan-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165064552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).